2-(2-amino-4-fluoroanilino)-N-ethylpropanamide

C11H16FN3O — CID 61476098

IUPAC2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-3-14-11(16)7(2)15-10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyYQKVDXPVVPCJGA-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide

2-(2-amino-4-fluoroanilino)-N-ethylpropanamide (PubChem CID 61476098) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
PubChem CID61476098
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ccc(F)cc1N
InChIInChI=1S/C11H16FN3O/c1-3-14-11(16)7(2)15-10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16)
InChIKeyYQKVDXPVVPCJGA-UHFFFAOYSA-N
XLogP1.34
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(2-amino-4-fluoroanilino)propanamide
CID 43545455
2-(2-amino-4-methylsulfonylanilino)-N-ethylpropanamide
CID 61476320
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
2-(2-amino-4-fluoroanilino)-N,N-dimethylpropanamide
CID 61464114
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
CID 107258957
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2,3-difluorobenzoic acid
CID 79838478

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide (CID 61476098) is 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide?
The InChIKey is YQKVDXPVVPCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-14-11(16)7(2)15-10-5-4-8(12)6-9(10)13/h4-7,15H,3,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide?
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide has a molecular weight of 225.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoroanilino)-N-ethylpropanamide is sourced from PubChem (CID 61476098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).